mp-625948-2/H7NO6/harm

Equation of state

../../_images/fig_bm2841.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5732.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8238.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5732.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25528.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times10353.png

(a) Computation time